Information card for entry 4349255

Structure parameters

• Formula: C16 H12 Br Cd N3 S3
• Calculated formula: C16 H12 Br Cd N3 S3
• Title of publication: Cadmium Compounds with an [N₃C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.
• Authors of publication: Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12105 - 12109
• a: 15.576 ± 0.002 Å
• b: 9.2765 ± 0.0014 Å
• c: 14.088 ± 0.003 Å
• α: 90°
• β: 117.847 ± 0.002°
• γ: 90°
• Cell volume: 1799.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No